WPS
Summary
| Name: | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile |
| Formula: | C5 H6 N4 |
| Formal charge: | 0 |
| Formula weight: | 122.128 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-3-methyl-1~{H}-pyrazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc(c(C#N)c1N)C |
| InChI | InChI | 1.03 | InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9) |
| InChIKey | InChI | 1.03 | CRRHJAMDQMQGKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]c(N)c1C#N |
| SMILES | CACTVS | 3.385 | Cc1n[nH]c(N)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c([nH]n1)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c([nH]n1)N)C#N |
